N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine

C22H26N2O2 — CID 50865854

IUPACN-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCOc1cccc(/N=C/c2cc3c(cc2OC)N(C)C(C)(C)C=C3C)c1
InChIInChI=1S/C22H26N2O2/c1-15-13-22(2,3)24(4)20-12-21(26-6)16(10-19(15)20)14-23-17-8-7-9-18(11-17)25-5/h7-14H,1-6H3/b23-14+
InChIKeyKDYBDJQCUSQGMZ-OEAKJJBVSA-N
MW350.46 g/mol
LogP5.09
Rot. Bonds4

About N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine

N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine (PubChem CID 50865854) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
PubChem CID50865854
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCOc1cccc(/N=C/c2cc3c(cc2OC)N(C)C(C)(C)C=C3C)c1
InChIInChI=1S/C22H26N2O2/c1-15-13-22(2,3)24(4)20-12-21(26-6)16(10-19(15)20)14-23-17-8-7-9-18(11-17)25-5/h7-14H,1-6H3/b23-14+
InChIKeyKDYBDJQCUSQGMZ-OEAKJJBVSA-N
XLogP5.09
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
N-(4-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 50866206
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The IUPAC name of N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine (CID 50865854) is N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine is COc1cccc(/N=C/c2cc3c(cc2OC)N(C)C(C)(C)C=C3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The InChIKey is KDYBDJQCUSQGMZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-13-22(2,3)24(4)20-12-21(26-6)16(10-19(15)20)14-23-17-8-7-9-18(11-17)25-5/h7-14H,1-6H3/b23-14+.
What are the key properties of N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine has a molecular weight of 350.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50865854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).